3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid

C23H20ClN3O4 — CID 108799650

IUPAC3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)cc1
InChIInChI=1S/C23H20ClN3O4/c24-14-6-9-19-17(12-14)21(16-2-1-3-18(16)27-19)23(31)26-15-7-4-13(5-8-15)22(30)25-11-10-20(28)29/h4-9,12H,1-3,10-11H2,(H,25,30)(H,26,31)(H,28,29)
InChIKeyCSQNOIDLXAUDKK-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.83
Rot. Bonds6

About 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid

3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid (PubChem CID 108799650) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid
PubChem CID108799650
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)cc1
InChIInChI=1S/C23H20ClN3O4/c24-14-6-9-19-17(12-14)21(16-2-1-3-18(16)27-19)23(31)26-15-7-4-13(5-8-15)22(30)25-11-10-20(28)29/h4-9,12H,1-3,10-11H2,(H,25,30)(H,26,31)(H,28,29)
InChIKeyCSQNOIDLXAUDKK-UHFFFAOYSA-N
XLogP3.83
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799559
7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786527
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]pentanedioic acid
CID 108786538
(2S)-2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]pentanedioic acid
CID 108786570
7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537
7-chloro-N-(2,6-diethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786468
7-chloro-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786566
7-chloro-N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799495
7-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799665

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid (CID 108799650) is 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)cc1.
What is the InChIKey of 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid?
The InChIKey is CSQNOIDLXAUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c24-14-6-9-19-17(12-14)21(16-2-1-3-18(16)27-19)23(31)26-15-7-4-13(5-8-15)22(30)25-11-10-20(28)29/h4-9,12H,1-3,10-11H2,(H,25,30)(H,26,31)(H,28,29).
What are the key properties of 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid?
3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid has a molecular weight of 437.88 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 108799650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).